About n-Nonylphosphin
n-Nonylphosphin (PubChem CID 12524104) has the molecular formula C9H21P
and a molecular weight of 160.24 g/mol. Its IUPAC name is nonylphosphane.
Molecular Properties
| Compound Name | n-Nonylphosphin |
| PubChem CID | 12524104 |
| Molecular Formula | C9H21P |
| Molecular Weight | 160.24 g/mol |
| Exact Mass | 160.14 |
| IUPAC Name | nonylphosphane |
| SMILES | CCCCCCCCCP |
| InChI | InChI=1S/C9H21P/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3 |
| InChIKey | OYFFQMKVQYLFTC-UHFFFAOYSA-N |
| XLogP | 4.60 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 7 |
| Heavy Atoms | 10 |
| Complexity | 52 |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 160.24 |
| LogP ≤ 5 | 4.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of n-Nonylphosphin?
The IUPAC name of n-Nonylphosphin (CID 12524104) is nonylphosphane.
What is the SMILES notation for n-Nonylphosphin?
The canonical SMILES for n-Nonylphosphin is CCCCCCCCCP.
What is the InChIKey of n-Nonylphosphin?
The InChIKey is OYFFQMKVQYLFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21P/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3.
What are the key properties of n-Nonylphosphin?
n-Nonylphosphin has a molecular weight of 160.24 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for n-Nonylphosphin is sourced from PubChem (CID 12524104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).